methyl 4-(4-imidazol-1-ylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-(4-imidazol-1-ylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(4-imidazol-1-ylphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[4-(1-imidazolyl)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-imidazol-1-ylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-imidazol-1-ylphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)N3C=CN=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)N3C=CN=C3)C(=O)OC

InChI

InChI=1S/C16H16N4O2S/c1-10-13(15(21)22-2)14(19-16(23)18-10)11-3-5-12(6-4-11)20-8-7-17-9-20/h3-9,14H,1-2H3,(H2,18,19,23)